[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol

C6H6ClF3N2O — CID 1476999

IUPAC[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCn1nc(C(F)(F)F)c(CO)c1Cl
InChIInChI=1S/C6H6ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h13H,2H2,1H3
InChIKeyFXYZKEABMLECRR-UHFFFAOYSA-N
MW214.57 g/mol
LogP1.58
Rot. Bonds1

About [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol

[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 1476999) has the molecular formula C6H6ClF3N2O and a molecular weight of 214.57 g/mol. Its IUPAC name is [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID1476999
Molecular FormulaC6H6ClF3N2O
Molecular Weight214.57 g/mol
Exact Mass214.01
IUPAC Name[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCn1nc(C(F)(F)F)c(CO)c1Cl
InChIInChI=1S/C6H6ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h13H,2H2,1H3
InChIKeyFXYZKEABMLECRR-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 1476999) is [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is Cn1nc(C(F)(F)F)c(CO)c1Cl.
What is the InChIKey of [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is FXYZKEABMLECRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h13H,2H2,1H3.
What are the key properties of [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 214.57 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 1476999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).